Basic information
- Standard SMILES
CC(C)(C)c1nn(-c2cc3nc(N)sc3cc2Cl)c(=O)o1- InChIKey
LKGWUTJXERQXCN-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O2S
- Average molar mass
- 324.79 g/mol
Names & identifiers
- Preferred name
- 3-(2-amino-6-chlorobenzothiazol-5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 3-(2-amino-6-chloro-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9378110LKGWUTJXERQXCN-UHFFFAOYSA-N3-(2-amino-6-chloro-benzothiazol -5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one3-(2-amino-6-chlorobenzothiazol-5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 14280658
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
3 records
Compound notes
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